2-(Dimethylamino)ethyl (2E)-2-[(1R,4aS,4bR,7S,8aR,10S,10aS)-dodecahydro-7,10-dihydroxy-1,4b,8,8-tetramethyl-2(1H)-phenanthrenylidene]acetate

CAS Registry Number®

26296-41-3

CAS Name

2-(Dimethylamino)ethyl (2E)-2-[(1R,4aS,4bR,7S,8aR,10S,10aS)-dodecahydro-7,10-dihydroxy-1,4b,8,8-tetramethyl-2(1H)-phenanthrenylidene]acetate

Molecular Formula

C24H41NO4

Molecular Mass

407.59

Cite this Page

2-(Dimethylamino)ethyl (2E)-2-[(1R,4aS,4bR,7S,8aR,10S,10aS)-dodecahydro-7,10-dihydroxy-1,4b,8,8-tetramethyl-2(1H)-phenanthrenylidene]acetate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=26296-41-3 (retrieved 2024-12-22) (CAS RN: 26296-41-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    425 °C

  • Melting Point (1)

    113 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C24H41NO4/c1-15-16(13-21(28)29-12-11-25(5)6)7-8-17-22(15)18(26)14-19-23(2,3)20(27)9-10-24(17,19)4/h13,15,17-20,22,26-27H,7-12,14H2,1-6H3/b16-13+/t15-,17-,18-,19-,20-,22-,24+/m0/s1

InChIKey

InChIKey=JKPVSFQJGXEMSU-CHEGSHICSA-N

SMILES

C[C@@]12[C@](C(C)(C)[C@@H](O)CC1)(C[C@H](O)[C@@]3([C@@]2(CC/C(=C\C(OCCN(C)C)=O)/[C@@H]3C)[H])[H])[H]

Canonical SMILES

O=C(OCCN(C)C)C=C1CCC2C(C(O)CC3C(C)(C)C(O)CCC23C)C1C

Other Names for this Substance

  • Acetic acid, 2-[(1R,4aS,4bR,7S,8aR,10S,10aS)-dodecahydro-7,10-dihydroxy-1,4b,8,8-tetramethyl-2(1H)-phenanthrenylidene]-, 2-(dimethylamino)ethyl ester, (2E)-
  • Cassaidine
  • 8β-Podocarpane-Δ13,α-acetic acid, 3β,7β-dihydroxy-14α-methyl-, 2-(dimethylamino)ethyl ester, (E)-
  • Acetic acid, (dodecahydro-7,10-dihydroxy-1,4b,8,8-tetramethyl-2(1H)-phenanthrenylidene)-, 2-(dimethylamino)ethyl ester, [1R-(1α,2E,4aα,4bβ,7β,8aα,10β,10aβ)]-
  • Acetic acid, [(1R,4aS,4bR,7S,8aR,10S,10aS)-dodecahydro-7,10-dihydroxy-1,4b,8,8-tetramethyl-2(1H)-phenanthrenylidene]-, 2-(dimethylamino)ethyl ester, (2E)-

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Deleted or Replaced CAS Registry Numbers

468-75-7, 11012-03-6

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